SCHEMBL3983579

SCHEMBL3983579

CCC(CC)(CN)Oc1ccc2cc(-c3nn(C(=O)OC(C)(C)C)c4ccc(OCc5ccccc5)cc34)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 14/20 0.40
▸ NR1H3 Q13133 3/20 0.37
▸ UBA6 A0AVT1 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ SRD5A2 P31213 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3981587 0.95 NR1H2 (0.40) NR1H2NR1H3GHSRMAP2K4SRD5A2
SCHEMBL3918504 0.88 NR1H2 (0.44) NR1H2NR1H3MAP2K4SRD5A2TRPV3
SCHEMBL3931449 0.86 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL3918025 0.86 NR1H2 (0.45) NR1H2NR1H3MAP2K4SRD5A2TRPV3
SCHEMBL3917562 0.85 NR1H2 (0.40) NR1H2NR1H3MAP2K4SRD5A2TRPV3
SCHEMBL3921445 0.85 NR1H2 (0.42) NR1H2NR1H3UBA6GHSR
SCHEMBL3920773 0.83 NR1H2 (0.44) NR1H2NR1H3MAP2K4SRD5A2TRPV3
SCHEMBL3920962 0.82 NR1H2 (0.45) NR1H2NR1H3GHSRMAP2K4SRD5A2
SCHEMBL3921577 0.81 NR1H2 (0.45) NR1H2NR1H3MAP2K4SRD5A2TRPV3
SCHEMBL3917566 0.80 NR1H2 (0.37) NR1H2NR1H3GHSRMAP2K4SRD5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 — — WO disclosed
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